00118002.cdx ChemDraw08111819092D 125127 0 0 0 0 0 0 0 0999 V2000 4.1128 3.5045 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 3.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6839 3.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9694 3.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 3.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5405 3.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 3.5045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5405 4.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 5.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9694 4.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6839 5.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6839 5.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9694 6.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 5.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 2.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8884 3.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6029 3.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3174 3.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8884 4.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6029 2.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0319 3.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7463 3.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4608 3.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0319 2.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1753 3.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8897 3.5045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6042 3.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6042 3.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0167 4.6315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3187 2.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3187 1.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3187 1.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9877 1.4334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5236 1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2380 1.3303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9525 1.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5236 2.5678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9525 2.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6670 2.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9525 0.9178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8504 3.9303 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5879 3.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3254 3.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0629 3.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8004 3.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5380 3.5045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8004 4.7819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2755 3.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1271 3.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5529 4.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5529 3.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1271 5.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4045 4.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8884 2.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1509 2.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8885 1.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6042 1.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8667 1.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6042 0.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6670 0.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4045 0.0529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6670 1.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6670 3.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4045 4.2311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9295 4.2311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1753 4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9128 5.1675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4378 5.1675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6839 2.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4214 2.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9464 2.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0792 -5.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2542 -5.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1583 -5.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9833 -5.0440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2542 -4.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1792 -4.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3769 -3.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1694 -2.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7642 -3.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5665 -4.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -4.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5567 -3.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3958 -4.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 -4.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9833 -3.6150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7057 -4.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4903 -4.7420 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4903 -3.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7057 -3.6621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2048 -3.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9193 -3.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6338 -3.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3482 -3.9170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6338 -2.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9193 -2.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3482 -2.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3482 -4.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6338 -5.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6338 -5.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9193 -6.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3482 -6.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2048 -5.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4903 -6.3920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0627 -3.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7772 -3.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4916 -3.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7772 -4.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4916 -5.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0627 -5.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0627 -5.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2061 -3.9170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9206 -3.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2061 -4.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6351 -3.9170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3495 -3.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3495 -2.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6351 -2.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9206 -2.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6351 -4.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0627 -2.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2048 -2.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6338 -2.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9193 -2.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9193 -1.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 1 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 5 15 2 0 7 16 1 0 16 17 1 0 17 18 1 0 16 19 2 0 17 20 1 6 18 21 1 0 21 22 1 0 22 23 1 0 21 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 2 0 28 30 1 0 30 31 1 0 31 32 1 6 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 34 37 2 0 36 38 1 0 38 39 1 0 36 40 1 1 1 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 2 0 46 48 1 0 48 49 1 0 49 50 1 0 49 51 2 0 50 52 1 1 50 53 1 0 20 54 1 0 54 55 2 0 54 56 1 0 31 57 1 0 57 58 2 0 57 59 1 0 36 62 1 0 60 61 2 0 60 62 1 0 39 63 1 0 63 64 2 0 63 65 1 0 25 66 1 6 66 67 2 0 66 68 1 0 3 69 1 1 69 70 2 0 69 71 1 0 72 73 1 0 73 74 1 0 74 75 1 0 74 76 1 6 76 77 1 0 77 78 2 0 78 79 1 0 79 80 2 0 80 81 1 0 81 82 2 0 82 77 1 0 80 83 1 0 75 84 1 0 84 85 1 0 84 86 2 0 85 87 2 0 87 88 1 0 88 89 1 0 89 90 2 0 90 85 1 0 89 91 1 0 91 92 1 0 92 93 1 0 93 94 1 0 93 95 1 6 95 96 1 0 95 97 1 0 94 98 1 0 98 99 1 0 99100 1 0 100101 1 0 100102 2 0 101103 1 0 103104 1 0 94105 1 0 105106 1 0 106107 1 0 106108 1 1 108109 1 0 108110 1 0 110111 1 0 107112 1 0 112113 1 0 112114 2 0 113115 1 0 115116 1 0 116117 1 0 117118 1 0 118119 1 0 113119 1 1 115120 1 0 105121 2 0 91122 1 6 122124 1 0 123124 2 0 124125 1 0 A 4 H N A 18 H N A 48 H N A 107 H N M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 54 55 56 M SBL 1 1 54 M SMT 1 COOH M SBV 1 54 -0.7145 0.4125 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 57 58 59 M SBL 2 1 57 M SMT 2 COOH M SBV 2 57 -0.7145 0.4125 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 60 61 62 M SBL 3 1 60 M SMT 3 HOO^C M SBV 3 60 0.7145 0.4125 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 3 63 64 65 M SBL 4 1 63 M SMT 4 COOH M SBV 4 63 0.0000 -0.8250 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 3 66 67 68 M SBL 5 1 66 M SMT 5 COOH M SBV 5 66 0.0000 -0.8247 M STY 1 6 SUP M SLB 1 6 6 M SAL 6 3 69 70 71 M SBL 6 1 69 M SMT 6 COOH M SBV 6 69 0.0000 1.0154 M STY 1 7 SUP M SLB 1 7 7 M SAL 7 4 122 123 124 125 M SBL 7 1 124 M SMT 7 OAc M SBV 7 124 0.0000 -0.8250 M END